3-benzyl-N-(3-fluoro-4-pyridinyl)pyrrolidine-1-carboxamide

C17H18FN3O — CID 126768823

IUPAC3-benzyl-N-(3-fluoro-4-pyridinyl)pyrrolidine-1-carboxamide
SMILESO=C(Nc1ccncc1F)N1CCC(Cc2ccccc2)C1
InChIInChI=1S/C17H18FN3O/c18-15-11-19-8-6-16(15)20-17(22)21-9-7-14(12-21)10-13-4-2-1-3-5-13/h1-6,8,11,14H,7,9-10,12H2,(H,19,20,22)
InChIKeyDRSCCZKQAQQNHX-UHFFFAOYSA-N
MW299.35 g/mol
LogP3.32
Rot. Bonds3

About 3-benzyl-N-(3-fluoro-4-pyridinyl)pyrrolidine-1-carboxamide

3-benzyl-N-(3-fluoro-4-pyridinyl)pyrrolidine-1-carboxamide (PubChem CID 126768823) has the molecular formula C17H18FN3O and a molecular weight of 299.35 g/mol. Its IUPAC name is 3-benzyl-N-(3-fluoro-4-pyridinyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-benzyl-N-(3-fluoro-4-pyridinyl)pyrrolidine-1-carboxamide
PubChem CID126768823
Molecular FormulaC17H18FN3O
Molecular Weight299.35 g/mol
Exact Mass299.14
IUPAC Name3-benzyl-N-(3-fluoro-4-pyridinyl)pyrrolidine-1-carboxamide
SMILESO=C(Nc1ccncc1F)N1CCC(Cc2ccccc2)C1
InChIInChI=1S/C17H18FN3O/c18-15-11-19-8-6-16(15)20-17(22)21-9-7-14(12-21)10-13-4-2-1-3-5-13/h1-6,8,11,14H,7,9-10,12H2,(H,19,20,22)
InChIKeyDRSCCZKQAQQNHX-UHFFFAOYSA-N
XLogP3.32
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(4-fluorophenyl)methyl]-N-pyridin-4-ylpyrrolidine-1-carboxamide
CID 138996907
N-(3-fluoro-4-pyridinyl)pyrrolidine-1-carboxamide
CID 103886195
(3S)-N-(3,5-difluorophenyl)-3-(pyridin-4-ylmethyl)pyrrolidine-1-carboxamide
CID 164638725
N-(2-ethoxyphenyl)-3-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide
CID 166619185
N-(3-fluoro-4-pyridinyl)-3-(2-methylpropoxy)pyrrolidine-1-carboxamide
CID 75522492
3-[2-(benzylamino)-2-oxoethyl]-N-(2-fluorophenyl)pyrrolidine-1-carboxamide
CID 91917768
4-benzyl-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 3857364
5-[(3-benzylpyrrolidine-1-carbonyl)amino]pyridine-2-carboxamide
CID 136515388
N-(2-fluorophenyl)-3-(2-hydroxyethyl)pyrrolidine-1-carboxamide
CID 113241349
4-benzyl-N-phenylpiperidine-1-carboxamide
CID 5064762
N-(2-fluorophenyl)-3-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 146127859
4-benzyl-N-(3-fluorophenyl)piperidine-1-carboxamide
CID 3570835

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-N-(3-fluoro-4-pyridinyl)pyrrolidine-1-carboxamide?
The IUPAC name of 3-benzyl-N-(3-fluoro-4-pyridinyl)pyrrolidine-1-carboxamide (CID 126768823) is 3-benzyl-N-(3-fluoro-4-pyridinyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-benzyl-N-(3-fluoro-4-pyridinyl)pyrrolidine-1-carboxamide?
The canonical SMILES for 3-benzyl-N-(3-fluoro-4-pyridinyl)pyrrolidine-1-carboxamide is O=C(Nc1ccncc1F)N1CCC(Cc2ccccc2)C1.
What is the InChIKey of 3-benzyl-N-(3-fluoro-4-pyridinyl)pyrrolidine-1-carboxamide?
The InChIKey is DRSCCZKQAQQNHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O/c18-15-11-19-8-6-16(15)20-17(22)21-9-7-14(12-21)10-13-4-2-1-3-5-13/h1-6,8,11,14H,7,9-10,12H2,(H,19,20,22).
What are the key properties of 3-benzyl-N-(3-fluoro-4-pyridinyl)pyrrolidine-1-carboxamide?
3-benzyl-N-(3-fluoro-4-pyridinyl)pyrrolidine-1-carboxamide has a molecular weight of 299.35 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-N-(3-fluoro-4-pyridinyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 126768823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).